Geometry & MOs

Info

ID:	72409
PubChem CID:	48416144
Reduced:	NO3C11H14 (2)
Stoich.:	AB3C11D14 (2)
Weight, g/mol:	409.152537
ΔH_f, kcal/mol:	-223.42
Dipole, Da:	4.75
IP(EA), eV:	-8.64(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-ethoxyphenyl)methyl]-3-[(2-oxochromene-3-carbonyl)amino]propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)CCCNC(=O)C2=CC=CO2)C(=O)OC

DOS

IR

Vibrations